1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one

C10H13ClO3S2 — CID 102762845

IUPAC1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one
SMILESCc1cc(C(=O)C(C)(C)S(C)(=O)=O)sc1Cl
InChIInChI=1S/C10H13ClO3S2/c1-6-5-7(15-9(6)11)8(12)10(2,3)16(4,13)14/h5H,1-4H3
InChIKeyZJTOTYQWCDXUJS-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.72
Rot. Bonds3

About 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one

1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one (PubChem CID 102762845) has the molecular formula C10H13ClO3S2 and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one
PubChem CID102762845
Molecular FormulaC10H13ClO3S2
Molecular Weight280.80 g/mol
Exact Mass280.00
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one
SMILESCc1cc(C(=O)C(C)(C)S(C)(=O)=O)sc1Cl
InChIInChI=1S/C10H13ClO3S2/c1-6-5-7(15-9(6)11)8(12)10(2,3)16(4,13)14/h5H,1-4H3
InChIKeyZJTOTYQWCDXUJS-UHFFFAOYSA-N
XLogP2.72
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-one
CID 102762770
2-methyl-2-methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one
CID 131067756
2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone
CID 102762735
4-(5-chloro-4-methylthiophen-2-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 102763256
1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 102764411
ethyl 2-(5-chloro-4-methylthiophen-2-yl)-2-oxoacetate
CID 102764348
1-(5-chloro-4-methylthiophen-2-yl)-3,5,5-trimethylhexan-1-one
CID 102762930
(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 102762940
5-chloro-4-methylthiophene-2-sulfonic acid
CID 89170993
(5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone
CID 102763100
(5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone
CID 102763056
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762901

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one (CID 102762845) is 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one is Cc1cc(C(=O)C(C)(C)S(C)(=O)=O)sc1Cl.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one?
The InChIKey is ZJTOTYQWCDXUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3S2/c1-6-5-7(15-9(6)11)8(12)10(2,3)16(4,13)14/h5H,1-4H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one?
1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one has a molecular weight of 280.80 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one is sourced from PubChem (CID 102762845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).